SCHEMBL26396296

SCHEMBL26396296

CCCCCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4cc(C#N)ccc4Cl)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ GSK3A P49840 7/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ AGER Q15109 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL26131801 0.99 GSK3B (0.40) GSK3BHTR1AGSK3ACYP1A2SLC6A4
SCHEMBL26396196 0.98 GSK3B (0.41) GSK3BHTR1AGSK3ACYP1A2SLC6A4
Hydrochloric Acid SCHEMBL31243432 0.97 GSK3B (0.41) GSK3BHTR1AGSK3ACYP1A2SLC6A4
Hydrochloric Acid SCHEMBL26129767 0.97 GSK3B (0.41) GSK3BHTR1AGSK3ACYP1A2SLC6A4
SCHEMBL26396281 0.95 GSK3B (0.42) GSK3BGSK3ACYP1A2DYRK1APIM1
Hydrochloric Acid SCHEMBL26126425 0.94 GSK3B (0.42) GSK3BGSK3ACYP1A2DYRK1APIM1
SCHEMBL26395004 0.89 GSK3B (0.47) GSK3BGSK3ADYRK1APIM1CDK2
SCHEMBL26396318 0.85 DYRK1A (0.45) GSK3BGSK3ADYRK1APIM1CDK2
SCHEMBL26394149 0.84 GSK3B (0.46) GSK3BGSK3APIM1CDK2PIK3CD
Hydrochloric Acid SCHEMBL26129160 0.84 DYRK1A (0.44) GSK3BGSK3ADYRK1APIM1CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 — — WO disclosed
Send feedback